4-fluoro-1,2,3,6-tetrahydropyridine

C5H8FN — CID 15895241

IUPAC4-fluoro-1,2,3,6-tetrahydropyridine
SMILESFC1=CCNCC1
InChIInChI=1S/C5H8FN/c6-5-1-3-7-4-2-5/h1,7H,2-4H2
InChIKeyMPYPFGXRTRPRKD-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.83
Rot. Bonds

About 4-fluoro-1,2,3,6-tetrahydropyridine

4-fluoro-1,2,3,6-tetrahydropyridine (PubChem CID 15895241) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 4-fluoro-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-fluoro-1,2,3,6-tetrahydropyridine
PubChem CID15895241
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name4-fluoro-1,2,3,6-tetrahydropyridine
SMILESFC1=CCNCC1
InChIInChI=1S/C5H8FN/c6-5-1-3-7-4-2-5/h1,7H,2-4H2
InChIKeyMPYPFGXRTRPRKD-UHFFFAOYSA-N
XLogP0.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-fluoro-1,2,3,6-tetrahydropyridine (CID 15895241) is 4-fluoro-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-fluoro-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-fluoro-1,2,3,6-tetrahydropyridine is FC1=CCNCC1.
What is the InChIKey of 4-fluoro-1,2,3,6-tetrahydropyridine?
The InChIKey is MPYPFGXRTRPRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c6-5-1-3-7-4-2-5/h1,7H,2-4H2.
What are the key properties of 4-fluoro-1,2,3,6-tetrahydropyridine?
4-fluoro-1,2,3,6-tetrahydropyridine has a molecular weight of 101.12 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 15895241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).